USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 THR OG1 : rot -49:sc= 1.28 USER MOD Set 1.2: A 53 THR OG1 : rot -115:sc= 0.907 USER MOD Set 1.3: A 109 ASN : amide:sc= 0.989 K(o=3.9,f=0.62) USER MOD Set 1.4: A 111 SER OG : rot -170:sc= 0.706 USER MOD Set 2.1: A 56 ASN : amide:sc= 0.427 X(o=2.8,f=2.5) USER MOD Set 2.2: A 102 ASN : amide:sc= 1.46 K(o=2.8,f=-0.74!) USER MOD Set 2.3: A 104 SER OG : rot 88:sc= 0.676 USER MOD Set 2.4: A 108 SER OG : rot -110:sc= 0.26 USER MOD Set 3.1: A 66 ASN : amide:sc= 0.599 K(o=0.6,f=-0.93) USER MOD Set 3.2: A 70 ASN : amide:sc= 0 X(o=0.6,f=0.45) USER MOD Set 4.1: A 54 ASN : amide:sc= -2.03! C(o=-2.2!,f=-4.2!) USER MOD Set 4.2: A 59 MET CE :methyl -172:sc= -0.126 (180deg=-0.13) USER MOD Single : A 20 THR OG1 : rot 92:sc= 0.0344 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 26 GLN : amide:sc= 0.847 K(o=0.85,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ -114:sc= 0.665 (180deg=0) USER MOD Single : A 32 CYS SG : rot 170:sc= 0.0669 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : +bothHN:sc= 1.51 K(o=1.5,f=-11!) USER MOD Single : A 52 SER OG : rot 70:sc= -0.0722 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -7.1! C(o=-7.1!,f=-11!) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 2.44 (180deg=1.01) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -160:sc= -0.0584 USER MOD Single : A 99 LYS NZ :NH3+ -146:sc= 1.32 (180deg=1.17) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.17) USER MOD Single : A 103 ASN : amide:sc= 1.16 K(o=1.2,f=-0.8) USER MOD Single : A 105 SER OG : rot 85:sc= 0.126 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.979 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -5.184 -9.037 0.082 1.00 0.00 N ATOM 92 CA ALA A 19 -4.278 -9.285 -1.024 1.00 0.00 C ATOM 93 C ALA A 19 -2.842 -9.057 -0.592 1.00 0.00 C ATOM 94 O ALA A 19 -2.440 -7.933 -0.289 1.00 0.00 O ATOM 95 CB ALA A 19 -4.628 -8.404 -2.212 1.00 0.00 C ATOM 0 HA ALA A 19 -4.384 -10.326 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.937 -8.605 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.646 -8.618 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.552 -7.356 -1.923 1.00 0.00 H new ATOM 101 N THR A 20 -2.088 -10.141 -0.541 1.00 0.00 N ATOM 102 CA THR A 20 -0.695 -10.091 -0.153 1.00 0.00 C ATOM 103 C THR A 20 0.181 -9.668 -1.325 1.00 0.00 C ATOM 104 O THR A 20 0.326 -10.399 -2.306 1.00 0.00 O ATOM 105 CB THR A 20 -0.243 -11.461 0.371 1.00 0.00 C ATOM 106 OG1 THR A 20 -1.400 -12.231 0.739 1.00 0.00 O ATOM 107 CG2 THR A 20 0.683 -11.305 1.569 1.00 0.00 C ATOM 0 H THR A 20 -2.426 -11.077 -0.767 1.00 0.00 H new ATOM 0 HA THR A 20 -0.589 -9.351 0.640 1.00 0.00 H new ATOM 0 HB THR A 20 0.308 -11.976 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.690 -12.772 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.990 -12.289 1.922 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.564 -10.734 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.159 -10.780 2.368 1.00 0.00 H new ATOM 115 N TYR A 21 0.725 -8.467 -1.231 1.00 0.00 N ATOM 116 CA TYR A 21 1.647 -7.960 -2.229 1.00 0.00 C ATOM 117 C TYR A 21 3.064 -8.364 -1.857 1.00 0.00 C ATOM 118 O TYR A 21 3.819 -7.583 -1.282 1.00 0.00 O ATOM 119 CB TYR A 21 1.537 -6.434 -2.338 1.00 0.00 C ATOM 120 CG TYR A 21 0.356 -5.961 -3.161 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.502 -6.869 -3.771 1.00 0.00 C ATOM 122 CD2 TYR A 21 0.098 -4.606 -3.324 1.00 0.00 C ATOM 123 CE1 TYR A 21 -1.578 -6.440 -4.521 1.00 0.00 C ATOM 124 CE2 TYR A 21 -0.978 -4.169 -4.074 1.00 0.00 C ATOM 125 CZ TYR A 21 -1.812 -5.089 -4.669 1.00 0.00 C ATOM 126 OH TYR A 21 -2.881 -4.659 -5.420 1.00 0.00 O ATOM 0 H TYR A 21 0.541 -7.820 -0.465 1.00 0.00 H new ATOM 0 HA TYR A 21 1.394 -8.387 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.461 -6.012 -1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.454 -6.044 -2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.323 -7.928 -3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.749 -3.882 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.234 -7.159 -4.990 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.163 -3.112 -4.193 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.906 -3.679 -5.423 1.00 0.00 H new ATOM 136 N THR A 22 3.400 -9.606 -2.146 1.00 0.00 N ATOM 137 CA THR A 22 4.718 -10.130 -1.849 1.00 0.00 C ATOM 138 C THR A 22 5.665 -9.921 -3.031 1.00 0.00 C ATOM 139 O THR A 22 6.017 -10.867 -3.736 1.00 0.00 O ATOM 140 CB THR A 22 4.633 -11.626 -1.506 1.00 0.00 C ATOM 141 OG1 THR A 22 3.277 -11.972 -1.183 1.00 0.00 O ATOM 142 CG2 THR A 22 5.543 -11.972 -0.337 1.00 0.00 C ATOM 0 H THR A 22 2.772 -10.276 -2.590 1.00 0.00 H new ATOM 0 HA THR A 22 5.112 -9.589 -0.989 1.00 0.00 H new ATOM 0 HB THR A 22 4.961 -12.196 -2.375 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.226 -12.926 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.463 -13.036 -0.116 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.574 -11.732 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.245 -11.396 0.539 1.00 0.00 H new ATOM 150 N GLY A 23 6.073 -8.676 -3.242 1.00 0.00 N ATOM 151 CA GLY A 23 6.935 -8.358 -4.363 1.00 0.00 C ATOM 152 C GLY A 23 8.329 -7.953 -3.929 1.00 0.00 C ATOM 153 O GLY A 23 8.590 -7.779 -2.738 1.00 0.00 O ATOM 0 H GLY A 23 5.822 -7.880 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.001 -9.223 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.489 -7.549 -4.942 1.00 0.00 H new ATOM 157 N THR A 24 9.226 -7.802 -4.891 1.00 0.00 N ATOM 158 CA THR A 24 10.596 -7.411 -4.605 1.00 0.00 C ATOM 159 C THR A 24 10.879 -5.996 -5.099 1.00 0.00 C ATOM 160 O THR A 24 10.705 -5.692 -6.278 1.00 0.00 O ATOM 161 CB THR A 24 11.596 -8.390 -5.249 1.00 0.00 C ATOM 162 OG1 THR A 24 11.005 -9.694 -5.337 1.00 0.00 O ATOM 163 CG2 THR A 24 12.881 -8.468 -4.437 1.00 0.00 C ATOM 0 H THR A 24 9.028 -7.945 -5.881 1.00 0.00 H new ATOM 0 HA THR A 24 10.721 -7.438 -3.522 1.00 0.00 H new ATOM 0 HB THR A 24 11.839 -8.026 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.611 -9.934 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.570 -9.166 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.341 -7.481 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.654 -8.813 -3.428 1.00 0.00 H new ATOM 171 N ILE A 25 11.308 -5.134 -4.189 1.00 0.00 N ATOM 172 CA ILE A 25 11.621 -3.757 -4.528 1.00 0.00 C ATOM 173 C ILE A 25 13.112 -3.610 -4.821 1.00 0.00 C ATOM 174 O ILE A 25 13.937 -4.368 -4.298 1.00 0.00 O ATOM 175 CB ILE A 25 11.194 -2.785 -3.399 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.242 -1.334 -3.888 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.069 -2.966 -2.165 1.00 0.00 C ATOM 178 CD1 ILE A 25 10.616 -0.350 -2.926 1.00 0.00 C ATOM 0 H ILE A 25 11.447 -5.367 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 25 11.056 -3.496 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 25 10.166 -3.020 -3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.281 -1.051 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.731 -1.266 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.749 -2.273 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.976 -3.989 -1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.109 -2.766 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.686 0.657 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.568 -0.607 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.142 -0.389 -1.972 1.00 0.00 H new ATOM 190 N GLN A 26 13.451 -2.644 -5.663 1.00 0.00 N ATOM 191 CA GLN A 26 14.829 -2.434 -6.075 1.00 0.00 C ATOM 192 C GLN A 26 15.625 -1.740 -4.973 1.00 0.00 C ATOM 193 O GLN A 26 15.050 -1.202 -4.022 1.00 0.00 O ATOM 194 CB GLN A 26 14.874 -1.603 -7.361 1.00 0.00 C ATOM 195 CG GLN A 26 15.735 -2.215 -8.453 1.00 0.00 C ATOM 196 CD GLN A 26 17.190 -1.812 -8.336 1.00 0.00 C ATOM 197 OE1 GLN A 26 17.968 -2.454 -7.631 1.00 0.00 O ATOM 198 NE2 GLN A 26 17.560 -0.741 -9.013 1.00 0.00 N ATOM 0 H GLN A 26 12.785 -1.991 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 26 15.282 -3.407 -6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.859 -1.478 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.252 -0.608 -7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.657 -3.301 -8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.353 -1.909 -9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.881 -0.239 -9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.525 -0.415 -8.964 1.00 0.00 H new ATOM 207 N GLY A 27 16.942 -1.757 -5.111 1.00 0.00 N ATOM 208 CA GLY A 27 17.801 -1.119 -4.141 1.00 0.00 C ATOM 209 C GLY A 27 17.781 0.387 -4.271 1.00 0.00 C ATOM 210 O GLY A 27 18.017 0.920 -5.359 1.00 0.00 O ATOM 0 H GLY A 27 17.432 -2.206 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.485 -1.400 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.822 -1.480 -4.267 1.00 0.00 H new ATOM 214 N LYS A 28 17.500 1.061 -3.159 1.00 0.00 N ATOM 215 CA LYS A 28 17.394 2.521 -3.122 1.00 0.00 C ATOM 216 C LYS A 28 16.296 3.010 -4.063 1.00 0.00 C ATOM 217 O LYS A 28 16.427 4.049 -4.713 1.00 0.00 O ATOM 218 CB LYS A 28 18.736 3.179 -3.474 1.00 0.00 C ATOM 219 CG LYS A 28 19.740 3.168 -2.330 1.00 0.00 C ATOM 220 CD LYS A 28 19.130 3.708 -1.045 1.00 0.00 C ATOM 221 CE LYS A 28 20.023 4.754 -0.395 1.00 0.00 C ATOM 222 NZ LYS A 28 20.333 4.418 1.018 1.00 0.00 N ATOM 0 H LYS A 28 17.339 0.613 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 28 17.129 2.811 -2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.169 2.664 -4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.557 4.210 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 28 20.094 2.150 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.609 3.768 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.155 4.145 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.964 2.887 -0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.951 4.840 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.533 5.727 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.899 5.124 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.953 3.476 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.364 4.418 1.157 1.00 0.00 H new ATOM 236 N GLY A 29 15.211 2.250 -4.129 1.00 0.00 N ATOM 237 CA GLY A 29 14.113 2.600 -4.999 1.00 0.00 C ATOM 238 C GLY A 29 12.838 2.884 -4.237 1.00 0.00 C ATOM 239 O GLY A 29 12.675 2.444 -3.098 1.00 0.00 O ATOM 0 H GLY A 29 15.074 1.394 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.384 3.477 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.938 1.787 -5.703 1.00 0.00 H new ATOM 243 N GLU A 30 11.942 3.631 -4.866 1.00 0.00 N ATOM 244 CA GLU A 30 10.647 3.956 -4.283 1.00 0.00 C ATOM 245 C GLU A 30 9.548 3.643 -5.290 1.00 0.00 C ATOM 246 O GLU A 30 9.535 4.199 -6.388 1.00 0.00 O ATOM 247 CB GLU A 30 10.578 5.437 -3.880 1.00 0.00 C ATOM 248 CG GLU A 30 11.910 6.025 -3.430 1.00 0.00 C ATOM 249 CD GLU A 30 11.781 7.438 -2.897 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.992 8.226 -3.461 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.465 7.773 -1.906 1.00 0.00 O ATOM 0 H GLU A 30 12.091 4.029 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 30 10.509 3.354 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.206 6.015 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.853 5.549 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.340 5.388 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.605 6.021 -4.269 1.00 0.00 H new ATOM 258 N VAL A 31 8.640 2.750 -4.927 1.00 0.00 N ATOM 259 CA VAL A 31 7.596 2.317 -5.852 1.00 0.00 C ATOM 260 C VAL A 31 6.228 2.842 -5.443 1.00 0.00 C ATOM 261 O VAL A 31 6.014 3.234 -4.289 1.00 0.00 O ATOM 262 CB VAL A 31 7.530 0.778 -5.974 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.775 0.241 -6.666 1.00 0.00 C ATOM 264 CG2 VAL A 31 7.347 0.132 -4.608 1.00 0.00 C ATOM 0 H VAL A 31 8.602 2.312 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 31 7.864 2.735 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 31 6.664 0.522 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.709 -0.844 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.850 0.671 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.658 0.511 -6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.303 -0.951 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.186 0.396 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.420 0.488 -4.159 1.00 0.00 H new ATOM 274 N CYS A 32 5.311 2.836 -6.401 1.00 0.00 N ATOM 275 CA CYS A 32 3.985 3.390 -6.204 1.00 0.00 C ATOM 276 C CYS A 32 2.899 2.342 -6.421 1.00 0.00 C ATOM 277 O CYS A 32 2.659 1.904 -7.546 1.00 0.00 O ATOM 278 CB CYS A 32 3.768 4.554 -7.170 1.00 0.00 C ATOM 279 SG CYS A 32 4.731 4.432 -8.713 1.00 0.00 S ATOM 0 H CYS A 32 5.467 2.448 -7.331 1.00 0.00 H new ATOM 0 HA CYS A 32 3.917 3.738 -5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.709 4.612 -7.419 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.028 5.484 -6.665 1.00 0.00 H new ATOM 0 HG CYS A 32 4.325 5.339 -9.551 1.00 0.00 H new ATOM 284 N ILE A 33 2.252 1.939 -5.340 1.00 0.00 N ATOM 285 CA ILE A 33 1.094 1.066 -5.427 1.00 0.00 C ATOM 286 C ILE A 33 -0.070 1.698 -4.683 1.00 0.00 C ATOM 287 O ILE A 33 0.075 2.115 -3.533 1.00 0.00 O ATOM 288 CB ILE A 33 1.371 -0.340 -4.852 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.405 -0.276 -3.726 1.00 0.00 C ATOM 290 CG2 ILE A 33 1.840 -1.278 -5.953 1.00 0.00 C ATOM 291 CD1 ILE A 33 2.203 -1.337 -2.666 1.00 0.00 C ATOM 0 H ILE A 33 2.510 2.204 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 33 0.853 0.944 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 33 0.441 -0.728 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.403 -0.383 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.362 0.708 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.031 -2.265 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.069 -1.353 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.756 -0.889 -6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.970 -1.235 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.218 -1.217 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.275 -2.325 -3.121 1.00 0.00 H new ATOM 476 N LEU A 46 -4.660 3.853 6.851 1.00 0.00 N ATOM 477 CA LEU A 46 -5.173 3.079 5.706 1.00 0.00 C ATOM 478 C LEU A 46 -4.695 1.632 5.826 1.00 0.00 C ATOM 479 O LEU A 46 -3.528 1.396 6.110 1.00 0.00 O ATOM 480 CB LEU A 46 -4.710 3.707 4.389 1.00 0.00 C ATOM 481 CG LEU A 46 -5.628 3.507 3.188 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.981 4.145 3.437 1.00 0.00 C ATOM 483 CD2 LEU A 46 -4.980 4.101 1.951 1.00 0.00 C ATOM 0 HA LEU A 46 -6.263 3.092 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.581 4.778 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.729 3.301 4.142 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.783 2.439 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.621 3.991 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.442 3.689 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.853 5.214 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.636 3.958 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.811 5.167 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.027 3.605 1.766 1.00 0.00 H new ATOM 495 N TYR A 47 -5.562 0.651 5.596 1.00 0.00 N ATOM 496 CA TYR A 47 -5.231 -0.705 6.032 1.00 0.00 C ATOM 497 C TYR A 47 -4.435 -1.481 4.998 1.00 0.00 C ATOM 498 O TYR A 47 -4.973 -2.028 4.032 1.00 0.00 O ATOM 499 CB TYR A 47 -6.466 -1.510 6.442 1.00 0.00 C ATOM 500 CG TYR A 47 -6.101 -2.828 7.101 1.00 0.00 C ATOM 501 CD1 TYR A 47 -5.282 -2.866 8.227 1.00 0.00 C ATOM 502 CD2 TYR A 47 -6.554 -4.031 6.587 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.932 -4.067 8.819 1.00 0.00 C ATOM 504 CE2 TYR A 47 -6.208 -5.236 7.171 1.00 0.00 C ATOM 505 CZ TYR A 47 -5.398 -5.248 8.285 1.00 0.00 C ATOM 506 OH TYR A 47 -5.053 -6.448 8.868 1.00 0.00 O ATOM 0 H TYR A 47 -6.463 0.758 5.130 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.601 -0.569 6.911 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.071 -0.918 7.129 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.079 -1.704 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.913 -1.941 8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.189 -4.028 5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.298 -4.078 9.693 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.572 -6.164 6.755 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.465 -7.184 8.370 1.00 0.00 H new ATOM 516 N ALA A 48 -3.133 -1.515 5.243 1.00 0.00 N ATOM 517 CA ALA A 48 -2.202 -2.332 4.497 1.00 0.00 C ATOM 518 C ALA A 48 -0.990 -2.618 5.369 1.00 0.00 C ATOM 519 O ALA A 48 -0.227 -1.713 5.693 1.00 0.00 O ATOM 520 CB ALA A 48 -1.780 -1.634 3.218 1.00 0.00 C ATOM 0 H ALA A 48 -2.692 -0.964 5.979 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.685 -3.269 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.080 -2.266 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.658 -1.447 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.299 -0.687 3.462 1.00 0.00 H new ATOM 526 N VAL A 49 -0.827 -3.863 5.773 1.00 0.00 N ATOM 527 CA VAL A 49 0.274 -4.230 6.649 1.00 0.00 C ATOM 528 C VAL A 49 1.523 -4.525 5.836 1.00 0.00 C ATOM 529 O VAL A 49 1.546 -5.447 5.026 1.00 0.00 O ATOM 530 CB VAL A 49 -0.064 -5.459 7.509 1.00 0.00 C ATOM 531 CG1 VAL A 49 1.000 -5.670 8.574 1.00 0.00 C ATOM 532 CG2 VAL A 49 -1.432 -5.311 8.146 1.00 0.00 C ATOM 0 H VAL A 49 -1.439 -4.636 5.511 1.00 0.00 H new ATOM 0 HA VAL A 49 0.451 -3.382 7.311 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.084 -6.335 6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.746 -6.544 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.967 -5.827 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.051 -4.791 9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.650 -6.192 8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.444 -4.425 8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.187 -5.210 7.367 1.00 0.00 H new ATOM 542 N LEU A 50 2.558 -3.733 6.049 1.00 0.00 N ATOM 543 CA LEU A 50 3.806 -3.914 5.324 1.00 0.00 C ATOM 544 C LEU A 50 4.791 -4.710 6.158 1.00 0.00 C ATOM 545 O LEU A 50 5.086 -4.331 7.288 1.00 0.00 O ATOM 546 CB LEU A 50 4.422 -2.558 4.959 1.00 0.00 C ATOM 547 CG LEU A 50 5.239 -2.508 3.654 1.00 0.00 C ATOM 548 CD1 LEU A 50 6.707 -2.225 3.943 1.00 0.00 C ATOM 549 CD2 LEU A 50 5.094 -3.796 2.858 1.00 0.00 C ATOM 0 H LEU A 50 2.561 -2.961 6.715 1.00 0.00 H new ATOM 0 HA LEU A 50 3.587 -4.461 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.618 -1.825 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.068 -2.244 5.779 1.00 0.00 H new ATOM 0 HG LEU A 50 4.841 -1.693 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.263 -2.195 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.799 -1.265 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.111 -3.013 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.683 -3.727 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.449 -4.635 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.045 -3.950 2.603 1.00 0.00 H new ATOM 561 N HIS A 51 5.264 -5.822 5.608 1.00 0.00 N ATOM 562 CA HIS A 51 6.342 -6.597 6.218 1.00 0.00 C ATOM 563 C HIS A 51 7.552 -6.588 5.294 1.00 0.00 C ATOM 564 O HIS A 51 7.406 -6.443 4.078 1.00 0.00 O ATOM 565 CB HIS A 51 5.936 -8.058 6.471 1.00 0.00 C ATOM 566 CG HIS A 51 4.551 -8.251 7.006 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.243 -8.200 8.347 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.391 -8.522 6.370 1.00 0.00 C ATOM 569 CE1 HIS A 51 2.956 -8.431 8.508 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.415 -8.628 7.323 1.00 0.00 N ATOM 0 H HIS A 51 4.915 -6.211 4.732 1.00 0.00 H new ATOM 0 HA HIS A 51 6.573 -6.135 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.027 -8.611 5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.644 -8.499 7.173 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.907 -8.013 9.098 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.258 -8.634 5.304 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.433 -8.455 9.452 1.00 0.00 H new ATOM 0 HE2 HIS A 51 1.430 -8.827 7.145 1.00 0.00 H new ATOM 579 N SER A 52 8.734 -6.756 5.859 1.00 0.00 N ATOM 580 CA SER A 52 9.956 -6.806 5.065 1.00 0.00 C ATOM 581 C SER A 52 10.636 -8.165 5.215 1.00 0.00 C ATOM 582 O SER A 52 11.402 -8.395 6.152 1.00 0.00 O ATOM 583 CB SER A 52 10.901 -5.682 5.487 1.00 0.00 C ATOM 584 OG SER A 52 10.353 -4.947 6.566 1.00 0.00 O ATOM 0 H SER A 52 8.877 -6.860 6.863 1.00 0.00 H new ATOM 0 HA SER A 52 9.698 -6.669 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.865 -6.100 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.083 -5.017 4.643 1.00 0.00 H new ATOM 0 HG SER A 52 10.357 -5.501 7.375 1.00 0.00 H new ATOM 590 N THR A 53 10.356 -9.056 4.279 1.00 0.00 N ATOM 591 CA THR A 53 10.873 -10.412 4.325 1.00 0.00 C ATOM 592 C THR A 53 12.257 -10.503 3.684 1.00 0.00 C ATOM 593 O THR A 53 12.461 -11.262 2.733 1.00 0.00 O ATOM 594 CB THR A 53 9.912 -11.364 3.593 1.00 0.00 C ATOM 595 OG1 THR A 53 8.980 -10.594 2.815 1.00 0.00 O ATOM 596 CG2 THR A 53 9.158 -12.242 4.581 1.00 0.00 C ATOM 0 H THR A 53 9.767 -8.861 3.470 1.00 0.00 H new ATOM 0 HA THR A 53 10.958 -10.701 5.373 1.00 0.00 H new ATOM 0 HB THR A 53 10.494 -12.012 2.938 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.074 -10.728 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.485 -12.906 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.869 -12.836 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.579 -11.614 5.258 1.00 0.00 H new ATOM 604 N ASN A 54 13.209 -9.741 4.207 1.00 0.00 N ATOM 605 CA ASN A 54 14.548 -9.704 3.628 1.00 0.00 C ATOM 606 C ASN A 54 15.597 -9.314 4.669 1.00 0.00 C ATOM 607 O ASN A 54 15.285 -9.162 5.854 1.00 0.00 O ATOM 608 CB ASN A 54 14.584 -8.733 2.436 1.00 0.00 C ATOM 609 CG ASN A 54 14.651 -7.274 2.853 1.00 0.00 C ATOM 610 OD1 ASN A 54 15.732 -6.718 3.029 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.496 -6.640 2.991 1.00 0.00 N ATOM 0 H ASN A 54 13.082 -9.144 5.024 1.00 0.00 H new ATOM 0 HA ASN A 54 14.790 -10.707 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 54 15.447 -8.966 1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.696 -8.888 1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.483 -5.654 3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.619 -7.138 2.836 1.00 0.00 H new ATOM 618 N VAL A 55 16.839 -9.185 4.209 1.00 0.00 N ATOM 619 CA VAL A 55 17.979 -8.823 5.054 1.00 0.00 C ATOM 620 C VAL A 55 17.725 -7.546 5.843 1.00 0.00 C ATOM 621 O VAL A 55 17.482 -7.574 7.052 1.00 0.00 O ATOM 622 CB VAL A 55 19.261 -8.602 4.215 1.00 0.00 C ATOM 623 CG1 VAL A 55 20.133 -9.845 4.213 1.00 0.00 C ATOM 624 CG2 VAL A 55 18.921 -8.180 2.789 1.00 0.00 C ATOM 0 H VAL A 55 17.087 -9.330 3.230 1.00 0.00 H new ATOM 0 HA VAL A 55 18.113 -9.660 5.739 1.00 0.00 H new ATOM 0 HB VAL A 55 19.824 -7.793 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.027 -9.662 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.423 -10.088 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.576 -10.679 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.841 -8.032 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.323 -8.957 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.355 -7.249 2.810 1.00 0.00 H new ATOM 634 N ASN A 56 17.779 -6.432 5.138 1.00 0.00 N ATOM 635 CA ASN A 56 17.726 -5.123 5.751 1.00 0.00 C ATOM 636 C ASN A 56 16.320 -4.566 5.674 1.00 0.00 C ATOM 637 O ASN A 56 15.919 -3.999 4.659 1.00 0.00 O ATOM 638 CB ASN A 56 18.705 -4.189 5.039 1.00 0.00 C ATOM 639 CG ASN A 56 18.944 -2.890 5.777 1.00 0.00 C ATOM 640 OD1 ASN A 56 19.242 -2.874 6.971 1.00 0.00 O ATOM 641 ND2 ASN A 56 18.814 -1.788 5.063 1.00 0.00 N ATOM 0 H ASN A 56 17.861 -6.412 4.122 1.00 0.00 H new ATOM 0 HA ASN A 56 18.007 -5.205 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.657 -4.704 4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 56 18.324 -3.967 4.042 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.962 -0.878 5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.566 -1.847 4.075 1.00 0.00 H new ATOM 648 N ALA A 57 15.569 -4.736 6.749 1.00 0.00 N ATOM 649 CA ALA A 57 14.210 -4.228 6.814 1.00 0.00 C ATOM 650 C ALA A 57 14.212 -2.729 7.082 1.00 0.00 C ATOM 651 O ALA A 57 13.615 -2.249 8.048 1.00 0.00 O ATOM 652 CB ALA A 57 13.419 -4.966 7.880 1.00 0.00 C ATOM 0 H ALA A 57 15.879 -5.223 7.590 1.00 0.00 H new ATOM 0 HA ALA A 57 13.729 -4.400 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.403 -4.573 7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.389 -6.029 7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.897 -4.826 8.850 1.00 0.00 H new ATOM 658 N ASP A 58 14.902 -1.992 6.226 1.00 0.00 N ATOM 659 CA ASP A 58 14.955 -0.547 6.328 1.00 0.00 C ATOM 660 C ASP A 58 14.124 0.064 5.214 1.00 0.00 C ATOM 661 O ASP A 58 14.622 0.820 4.378 1.00 0.00 O ATOM 662 CB ASP A 58 16.396 -0.045 6.254 1.00 0.00 C ATOM 663 CG ASP A 58 16.592 1.265 6.990 1.00 0.00 C ATOM 664 OD1 ASP A 58 15.646 2.077 7.038 1.00 0.00 O ATOM 665 OD2 ASP A 58 17.702 1.494 7.517 1.00 0.00 O ATOM 0 H ASP A 58 15.436 -2.377 5.447 1.00 0.00 H new ATOM 0 HA ASP A 58 14.548 -0.246 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.062 -0.798 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.680 0.083 5.209 1.00 0.00 H new ATOM 670 N MET A 59 12.859 -0.301 5.193 1.00 0.00 N ATOM 671 CA MET A 59 11.937 0.215 4.205 1.00 0.00 C ATOM 672 C MET A 59 10.985 1.184 4.873 1.00 0.00 C ATOM 673 O MET A 59 10.338 0.848 5.860 1.00 0.00 O ATOM 674 CB MET A 59 11.155 -0.933 3.560 1.00 0.00 C ATOM 675 CG MET A 59 11.917 -1.656 2.462 1.00 0.00 C ATOM 676 SD MET A 59 12.353 -3.345 2.919 1.00 0.00 S ATOM 677 CE MET A 59 11.166 -4.268 1.949 1.00 0.00 C ATOM 0 H MET A 59 12.444 -0.958 5.854 1.00 0.00 H new ATOM 0 HA MET A 59 12.494 0.733 3.424 1.00 0.00 H new ATOM 0 HB2 MET A 59 10.881 -1.652 4.332 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.226 -0.540 3.146 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.312 -1.673 1.555 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.825 -1.100 2.229 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.209 -5.321 2.227 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.164 -3.884 2.139 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.401 -4.162 0.890 1.00 0.00 H new ATOM 687 N THR A 60 10.907 2.390 4.359 1.00 0.00 N ATOM 688 CA THR A 60 10.021 3.374 4.936 1.00 0.00 C ATOM 689 C THR A 60 8.729 3.448 4.146 1.00 0.00 C ATOM 690 O THR A 60 8.744 3.646 2.927 1.00 0.00 O ATOM 691 CB THR A 60 10.678 4.762 4.993 1.00 0.00 C ATOM 692 OG1 THR A 60 12.106 4.626 4.954 1.00 0.00 O ATOM 693 CG2 THR A 60 10.272 5.485 6.263 1.00 0.00 C ATOM 0 H THR A 60 11.440 2.711 3.551 1.00 0.00 H new ATOM 0 HA THR A 60 9.803 3.061 5.957 1.00 0.00 H new ATOM 0 HB THR A 60 10.344 5.342 4.133 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.520 5.513 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.745 6.467 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.189 5.603 6.284 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.590 4.905 7.129 1.00 0.00 H new ATOM 701 N LEU A 61 7.613 3.266 4.830 1.00 0.00 N ATOM 702 CA LEU A 61 6.322 3.343 4.180 1.00 0.00 C ATOM 703 C LEU A 61 5.785 4.757 4.291 1.00 0.00 C ATOM 704 O LEU A 61 5.791 5.348 5.375 1.00 0.00 O ATOM 705 CB LEU A 61 5.340 2.344 4.804 1.00 0.00 C ATOM 706 CG LEU A 61 4.140 1.962 3.925 1.00 0.00 C ATOM 707 CD1 LEU A 61 3.485 0.691 4.432 1.00 0.00 C ATOM 708 CD2 LEU A 61 3.120 3.087 3.885 1.00 0.00 C ATOM 0 H LEU A 61 7.577 3.065 5.829 1.00 0.00 H new ATOM 0 HA LEU A 61 6.438 3.085 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.886 1.435 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.966 2.764 5.738 1.00 0.00 H new ATOM 0 HG LEU A 61 4.510 1.788 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.637 0.439 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.209 -0.124 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.138 0.843 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.279 2.794 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.764 3.292 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.584 3.984 3.475 1.00 0.00 H new ATOM 720 N ILE A 62 5.358 5.312 3.171 1.00 0.00 N ATOM 721 CA ILE A 62 4.746 6.621 3.177 1.00 0.00 C ATOM 722 C ILE A 62 3.337 6.574 2.607 1.00 0.00 C ATOM 723 O ILE A 62 3.104 6.093 1.495 1.00 0.00 O ATOM 724 CB ILE A 62 5.607 7.661 2.425 1.00 0.00 C ATOM 725 CG1 ILE A 62 6.460 8.425 3.428 1.00 0.00 C ATOM 726 CG2 ILE A 62 4.749 8.635 1.630 1.00 0.00 C ATOM 727 CD1 ILE A 62 7.940 8.130 3.318 1.00 0.00 C ATOM 0 H ILE A 62 5.425 4.876 2.251 1.00 0.00 H new ATOM 0 HA ILE A 62 4.681 6.938 4.218 1.00 0.00 H new ATOM 0 HB ILE A 62 6.243 7.129 1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.300 9.494 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.124 8.182 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.391 9.350 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.159 8.085 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.082 9.168 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.483 8.710 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.113 7.067 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.292 8.399 2.322 1.00 0.00 H new ATOM 739 N LEU A 63 2.405 7.051 3.402 1.00 0.00 N ATOM 740 CA LEU A 63 1.037 7.222 2.967 1.00 0.00 C ATOM 741 C LEU A 63 0.895 8.584 2.300 1.00 0.00 C ATOM 742 O LEU A 63 1.023 9.625 2.951 1.00 0.00 O ATOM 743 CB LEU A 63 0.098 7.112 4.167 1.00 0.00 C ATOM 744 CG LEU A 63 -1.242 6.415 3.916 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.328 7.028 4.778 1.00 0.00 C ATOM 746 CD2 LEU A 63 -1.635 6.482 2.454 1.00 0.00 C ATOM 0 H LEU A 63 2.574 7.331 4.368 1.00 0.00 H new ATOM 0 HA LEU A 63 0.774 6.444 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.619 6.577 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.103 8.117 4.538 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.125 5.365 4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.274 6.521 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.063 6.918 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.429 8.086 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.591 5.978 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.725 7.525 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.872 5.992 1.849 1.00 0.00 H new ATOM 758 N LEU A 64 0.662 8.573 1.000 1.00 0.00 N ATOM 759 CA LEU A 64 0.587 9.801 0.232 1.00 0.00 C ATOM 760 C LEU A 64 -0.659 9.817 -0.641 1.00 0.00 C ATOM 761 O LEU A 64 -1.246 8.773 -0.921 1.00 0.00 O ATOM 762 CB LEU A 64 1.840 9.935 -0.641 1.00 0.00 C ATOM 763 CG LEU A 64 2.319 11.362 -0.916 1.00 0.00 C ATOM 764 CD1 LEU A 64 1.748 11.886 -2.216 1.00 0.00 C ATOM 765 CD2 LEU A 64 1.966 12.284 0.230 1.00 0.00 C ATOM 0 H LEU A 64 0.521 7.724 0.453 1.00 0.00 H new ATOM 0 HA LEU A 64 0.531 10.643 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.652 9.387 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.646 9.448 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 64 3.405 11.335 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.105 12.902 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.068 11.246 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.659 11.888 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.318 13.291 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.884 12.299 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.441 11.927 1.144 1.00 0.00 H new ATOM 777 N ARG A 65 -1.061 11.006 -1.064 1.00 0.00 N ATOM 778 CA ARG A 65 -2.143 11.148 -2.020 1.00 0.00 C ATOM 779 C ARG A 65 -1.759 12.163 -3.090 1.00 0.00 C ATOM 780 O ARG A 65 -1.708 13.366 -2.838 1.00 0.00 O ATOM 781 CB ARG A 65 -3.442 11.577 -1.320 1.00 0.00 C ATOM 782 CG ARG A 65 -3.245 12.626 -0.232 1.00 0.00 C ATOM 783 CD ARG A 65 -4.087 13.867 -0.493 1.00 0.00 C ATOM 784 NE ARG A 65 -3.269 15.002 -0.915 1.00 0.00 N ATOM 785 CZ ARG A 65 -3.756 16.133 -1.422 1.00 0.00 C ATOM 786 NH1 ARG A 65 -5.068 16.309 -1.545 1.00 0.00 N ATOM 787 NH2 ARG A 65 -2.923 17.093 -1.796 1.00 0.00 N ATOM 0 H ARG A 65 -0.651 11.888 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.317 10.180 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.132 11.969 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.913 10.698 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.511 12.202 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.192 12.904 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.828 13.648 -1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.635 14.131 0.412 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.257 14.923 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.711 15.574 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.432 17.179 -1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.916 16.963 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.288 17.962 -2.185 1.00 0.00 H new ATOM 801 N ASN A 66 -1.458 11.665 -4.273 1.00 0.00 N ATOM 802 CA ASN A 66 -1.213 12.512 -5.429 1.00 0.00 C ATOM 803 C ASN A 66 -1.998 11.969 -6.601 1.00 0.00 C ATOM 804 O ASN A 66 -2.122 10.757 -6.757 1.00 0.00 O ATOM 805 CB ASN A 66 0.282 12.584 -5.784 1.00 0.00 C ATOM 806 CG ASN A 66 0.526 12.814 -7.273 1.00 0.00 C ATOM 807 OD1 ASN A 66 0.293 13.909 -7.799 1.00 0.00 O ATOM 808 ND2 ASN A 66 0.995 11.786 -7.965 1.00 0.00 N ATOM 0 H ASN A 66 -1.376 10.666 -4.462 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.535 13.526 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.747 13.389 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.768 11.657 -5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.175 11.884 -8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.176 10.897 -7.498 1.00 0.00 H new ATOM 815 N VAL A 67 -2.545 12.852 -7.401 1.00 0.00 N ATOM 816 CA VAL A 67 -3.266 12.439 -8.583 1.00 0.00 C ATOM 817 C VAL A 67 -3.559 13.647 -9.470 1.00 0.00 C ATOM 818 O VAL A 67 -4.317 13.571 -10.438 1.00 0.00 O ATOM 819 CB VAL A 67 -4.553 11.684 -8.188 1.00 0.00 C ATOM 820 CG1 VAL A 67 -5.622 12.636 -7.670 1.00 0.00 C ATOM 821 CG2 VAL A 67 -5.076 10.845 -9.345 1.00 0.00 C ATOM 0 H VAL A 67 -2.505 13.861 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.649 11.751 -9.161 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.298 11.006 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.514 12.070 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.247 13.161 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.872 13.360 -8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.983 10.325 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.300 11.493 -10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.320 10.115 -9.636 1.00 0.00 H new ATOM 831 N GLY A 68 -2.931 14.765 -9.129 1.00 0.00 N ATOM 832 CA GLY A 68 -3.031 15.951 -9.947 1.00 0.00 C ATOM 833 C GLY A 68 -2.006 15.941 -11.058 1.00 0.00 C ATOM 834 O GLY A 68 -2.230 16.510 -12.125 1.00 0.00 O ATOM 0 H GLY A 68 -2.352 14.868 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.032 16.018 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.889 16.836 -9.327 1.00 0.00 H new ATOM 838 N GLY A 69 -0.882 15.284 -10.804 1.00 0.00 N ATOM 839 CA GLY A 69 0.146 15.157 -11.818 1.00 0.00 C ATOM 840 C GLY A 69 1.428 15.880 -11.456 1.00 0.00 C ATOM 841 O GLY A 69 2.145 16.357 -12.332 1.00 0.00 O ATOM 0 H GLY A 69 -0.664 14.837 -9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.364 14.101 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.232 15.550 -12.762 1.00 0.00 H new ATOM 845 N ASN A 70 1.727 15.958 -10.166 1.00 0.00 N ATOM 846 CA ASN A 70 2.937 16.638 -9.712 1.00 0.00 C ATOM 847 C ASN A 70 3.951 15.635 -9.172 1.00 0.00 C ATOM 848 O ASN A 70 5.061 16.004 -8.783 1.00 0.00 O ATOM 849 CB ASN A 70 2.597 17.689 -8.642 1.00 0.00 C ATOM 850 CG ASN A 70 2.364 17.089 -7.263 1.00 0.00 C ATOM 851 OD1 ASN A 70 3.296 16.933 -6.473 1.00 0.00 O ATOM 852 ND2 ASN A 70 1.116 16.779 -6.953 1.00 0.00 N ATOM 0 H ASN A 70 1.155 15.563 -9.420 1.00 0.00 H new ATOM 0 HA ASN A 70 3.382 17.147 -10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.409 18.414 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.705 18.235 -8.949 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.899 16.396 -6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.371 16.923 -7.634 1.00 0.00 H new ATOM 859 N GLY A 71 3.571 14.366 -9.171 1.00 0.00 N ATOM 860 CA GLY A 71 4.429 13.336 -8.621 1.00 0.00 C ATOM 861 C GLY A 71 4.061 13.023 -7.187 1.00 0.00 C ATOM 862 O GLY A 71 3.329 13.783 -6.553 1.00 0.00 O ATOM 0 H GLY A 71 2.682 14.030 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.349 12.432 -9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.468 13.661 -8.670 1.00 0.00 H new ATOM 866 N TRP A 72 4.562 11.913 -6.665 1.00 0.00 N ATOM 867 CA TRP A 72 4.243 11.512 -5.301 1.00 0.00 C ATOM 868 C TRP A 72 5.056 12.328 -4.296 1.00 0.00 C ATOM 869 O TRP A 72 5.661 13.344 -4.644 1.00 0.00 O ATOM 870 CB TRP A 72 4.506 10.017 -5.091 1.00 0.00 C ATOM 871 CG TRP A 72 3.864 9.124 -6.118 1.00 0.00 C ATOM 872 CD1 TRP A 72 4.510 8.341 -7.032 1.00 0.00 C ATOM 873 CD2 TRP A 72 2.459 8.901 -6.324 1.00 0.00 C ATOM 874 NE1 TRP A 72 3.599 7.656 -7.797 1.00 0.00 N ATOM 875 CE2 TRP A 72 2.336 7.975 -7.381 1.00 0.00 C ATOM 876 CE3 TRP A 72 1.293 9.388 -5.726 1.00 0.00 C ATOM 877 CZ2 TRP A 72 1.101 7.530 -7.843 1.00 0.00 C ATOM 878 CZ3 TRP A 72 0.072 8.941 -6.185 1.00 0.00 C ATOM 879 CH2 TRP A 72 -0.019 8.022 -7.234 1.00 0.00 C ATOM 0 H TRP A 72 5.187 11.277 -7.161 1.00 0.00 H new ATOM 0 HA TRP A 72 3.182 11.704 -5.138 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.582 9.845 -5.099 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.145 9.732 -4.103 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.583 8.271 -7.138 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.828 7.012 -8.554 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.348 10.102 -4.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.030 6.821 -8.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -0.833 9.309 -5.724 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.992 7.695 -7.569 1.00 0.00 H new ATOM 890 N GLY A 73 5.063 11.880 -3.054 1.00 0.00 N ATOM 891 CA GLY A 73 5.761 12.590 -2.005 1.00 0.00 C ATOM 892 C GLY A 73 5.657 11.853 -0.691 1.00 0.00 C ATOM 893 O GLY A 73 5.096 10.762 -0.647 1.00 0.00 O ATOM 0 H GLY A 73 4.593 11.028 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.810 12.709 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.344 13.591 -1.899 1.00 0.00 H new ATOM 897 N GLU A 74 6.237 12.401 0.364 1.00 0.00 N ATOM 898 CA GLU A 74 6.073 11.831 1.695 1.00 0.00 C ATOM 899 C GLU A 74 5.103 12.657 2.539 1.00 0.00 C ATOM 900 O GLU A 74 5.216 13.880 2.606 1.00 0.00 O ATOM 901 CB GLU A 74 7.420 11.709 2.411 1.00 0.00 C ATOM 902 CG GLU A 74 8.202 13.005 2.490 1.00 0.00 C ATOM 903 CD GLU A 74 9.661 12.812 2.151 1.00 0.00 C ATOM 904 OE1 GLU A 74 10.438 12.426 3.048 1.00 0.00 O ATOM 905 OE2 GLU A 74 10.034 13.034 0.983 1.00 0.00 O ATOM 0 H GLU A 74 6.823 13.235 0.328 1.00 0.00 H new ATOM 0 HA GLU A 74 5.653 10.833 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.249 11.339 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.026 10.963 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.765 13.733 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.116 13.419 3.495 1.00 0.00 H new ATOM 912 N ILE A 75 4.145 11.992 3.179 1.00 0.00 N ATOM 913 CA ILE A 75 3.291 12.653 4.160 1.00 0.00 C ATOM 914 C ILE A 75 3.256 11.841 5.454 1.00 0.00 C ATOM 915 O ILE A 75 3.690 12.320 6.498 1.00 0.00 O ATOM 916 CB ILE A 75 1.852 12.919 3.628 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.798 14.295 2.954 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.812 12.849 4.746 1.00 0.00 C ATOM 919 CD1 ILE A 75 0.423 14.680 2.451 1.00 0.00 C ATOM 0 H ILE A 75 3.942 11.003 3.037 1.00 0.00 H new ATOM 0 HA ILE A 75 3.726 13.632 4.361 1.00 0.00 H new ATOM 0 HB ILE A 75 1.613 12.140 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.139 15.049 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.496 14.306 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.179 13.040 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.831 11.858 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.041 13.599 5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.468 15.666 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.086 13.949 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.277 14.703 3.286 1.00 0.00 H new ATOM 931 N LYS A 76 2.759 10.608 5.389 1.00 0.00 N ATOM 932 CA LYS A 76 2.748 9.749 6.570 1.00 0.00 C ATOM 933 C LYS A 76 3.898 8.751 6.518 1.00 0.00 C ATOM 934 O LYS A 76 3.862 7.791 5.756 1.00 0.00 O ATOM 935 CB LYS A 76 1.408 9.018 6.707 1.00 0.00 C ATOM 936 CG LYS A 76 1.345 8.058 7.888 1.00 0.00 C ATOM 937 CD LYS A 76 1.258 8.796 9.215 1.00 0.00 C ATOM 938 CE LYS A 76 1.598 7.882 10.384 1.00 0.00 C ATOM 939 NZ LYS A 76 0.489 7.798 11.373 1.00 0.00 N ATOM 0 H LYS A 76 2.365 10.187 4.547 1.00 0.00 H new ATOM 0 HA LYS A 76 2.878 10.382 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.612 9.756 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.213 8.463 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.480 7.404 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.229 7.420 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.941 9.646 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.252 9.196 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.824 6.884 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.497 8.248 10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.765 7.165 12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.289 8.746 11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.363 7.424 10.908 1.00 0.00 H new ATOM 953 N ARG A 77 4.921 8.998 7.323 1.00 0.00 N ATOM 954 CA ARG A 77 6.082 8.121 7.391 1.00 0.00 C ATOM 955 C ARG A 77 5.912 7.124 8.536 1.00 0.00 C ATOM 956 O ARG A 77 5.824 7.524 9.701 1.00 0.00 O ATOM 957 CB ARG A 77 7.347 8.960 7.608 1.00 0.00 C ATOM 958 CG ARG A 77 8.582 8.420 6.910 1.00 0.00 C ATOM 959 CD ARG A 77 9.820 9.240 7.248 1.00 0.00 C ATOM 960 NE ARG A 77 10.600 8.639 8.328 1.00 0.00 N ATOM 961 CZ ARG A 77 11.795 8.066 8.165 1.00 0.00 C ATOM 962 NH1 ARG A 77 12.386 8.077 6.976 1.00 0.00 N ATOM 963 NH2 ARG A 77 12.409 7.508 9.200 1.00 0.00 N ATOM 0 H ARG A 77 4.971 9.806 7.944 1.00 0.00 H new ATOM 0 HA ARG A 77 6.174 7.570 6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.160 9.975 7.257 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.547 9.024 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.741 7.382 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.424 8.427 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.445 9.335 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.519 10.247 7.536 1.00 0.00 H new ATOM 0 HE ARG A 77 10.205 8.659 9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.927 8.524 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.299 7.638 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.968 7.517 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 77 13.322 7.070 9.076 1.00 0.00 H new ATOM 977 N ASN A 78 5.864 5.836 8.216 1.00 0.00 N ATOM 978 CA ASN A 78 5.663 4.819 9.244 1.00 0.00 C ATOM 979 C ASN A 78 6.662 3.668 9.123 1.00 0.00 C ATOM 980 O ASN A 78 7.407 3.562 8.137 1.00 0.00 O ATOM 981 CB ASN A 78 4.220 4.292 9.223 1.00 0.00 C ATOM 982 CG ASN A 78 3.938 3.345 8.073 1.00 0.00 C ATOM 983 OD1 ASN A 78 3.572 3.776 6.986 1.00 0.00 O ATOM 984 ND2 ASN A 78 4.088 2.050 8.314 1.00 0.00 N ATOM 0 H ASN A 78 5.960 5.474 7.267 1.00 0.00 H new ATOM 0 HA ASN A 78 5.842 5.301 10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.015 3.780 10.163 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.534 5.137 9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.896 1.369 7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.395 1.735 9.234 1.00 0.00 H new ATOM 991 N ASP A 79 6.636 2.798 10.132 1.00 0.00 N ATOM 992 CA ASP A 79 7.648 1.765 10.322 1.00 0.00 C ATOM 993 C ASP A 79 7.246 0.455 9.643 1.00 0.00 C ATOM 994 O ASP A 79 6.087 0.265 9.276 1.00 0.00 O ATOM 995 CB ASP A 79 7.845 1.543 11.827 1.00 0.00 C ATOM 996 CG ASP A 79 9.011 0.639 12.156 1.00 0.00 C ATOM 997 OD1 ASP A 79 10.088 0.806 11.552 1.00 0.00 O ATOM 998 OD2 ASP A 79 8.857 -0.238 13.033 1.00 0.00 O ATOM 0 H ASP A 79 5.906 2.792 10.844 1.00 0.00 H new ATOM 0 HA ASP A 79 8.580 2.095 9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.995 2.508 12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.934 1.115 12.245 1.00 0.00 H new ATOM 1003 N ILE A 80 8.210 -0.448 9.493 1.00 0.00 N ATOM 1004 CA ILE A 80 7.968 -1.732 8.845 1.00 0.00 C ATOM 1005 C ILE A 80 7.301 -2.717 9.797 1.00 0.00 C ATOM 1006 O ILE A 80 7.304 -2.519 11.011 1.00 0.00 O ATOM 1007 CB ILE A 80 9.269 -2.367 8.315 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.446 -2.053 9.243 1.00 0.00 C ATOM 1009 CG2 ILE A 80 9.554 -1.885 6.905 1.00 0.00 C ATOM 1010 CD1 ILE A 80 10.974 -3.267 9.976 1.00 0.00 C ATOM 0 H ILE A 80 9.169 -0.313 9.813 1.00 0.00 H new ATOM 0 HA ILE A 80 7.305 -1.526 8.005 1.00 0.00 H new ATOM 0 HB ILE A 80 9.139 -3.449 8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.253 -1.612 8.658 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.135 -1.305 9.972 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.476 -2.342 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.729 -2.166 6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.663 -0.800 6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.806 -2.973 10.615 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.181 -3.696 10.588 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.316 -4.008 9.253 1.00 0.00 H new ATOM 1022 N ASP A 81 6.736 -3.776 9.225 1.00 0.00 N ATOM 1023 CA ASP A 81 6.002 -4.797 9.978 1.00 0.00 C ATOM 1024 C ASP A 81 4.880 -4.158 10.778 1.00 0.00 C ATOM 1025 O ASP A 81 4.580 -4.568 11.902 1.00 0.00 O ATOM 1026 CB ASP A 81 6.940 -5.583 10.899 1.00 0.00 C ATOM 1027 CG ASP A 81 6.514 -7.028 11.062 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.080 -7.643 10.069 1.00 0.00 O ATOM 1029 OD2 ASP A 81 6.628 -7.564 12.186 1.00 0.00 O ATOM 0 H ASP A 81 6.773 -3.954 8.221 1.00 0.00 H new ATOM 0 HA ASP A 81 5.567 -5.498 9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.952 -5.549 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.970 -5.103 11.877 1.00 0.00 H new ATOM 1034 N LYS A 82 4.255 -3.151 10.185 1.00 0.00 N ATOM 1035 CA LYS A 82 3.217 -2.397 10.866 1.00 0.00 C ATOM 1036 C LYS A 82 1.893 -2.471 10.118 1.00 0.00 C ATOM 1037 O LYS A 82 1.841 -2.252 8.903 1.00 0.00 O ATOM 1038 CB LYS A 82 3.642 -0.938 11.037 1.00 0.00 C ATOM 1039 CG LYS A 82 3.804 -0.519 12.491 1.00 0.00 C ATOM 1040 CD LYS A 82 5.262 -0.541 12.923 1.00 0.00 C ATOM 1041 CE LYS A 82 5.608 -1.827 13.659 1.00 0.00 C ATOM 1042 NZ LYS A 82 7.071 -2.094 13.670 1.00 0.00 N ATOM 0 H LYS A 82 4.450 -2.839 9.234 1.00 0.00 H new ATOM 0 HA LYS A 82 3.074 -2.845 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.585 -0.779 10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.902 -0.294 10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.399 0.484 12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.225 -1.187 13.129 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.903 -0.438 12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.464 0.314 13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.244 -1.765 14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.092 -2.663 13.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.304 -2.718 14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.347 -2.554 12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.587 -1.197 13.770 1.00 0.00 H new ATOM 1056 N PRO A 83 0.812 -2.824 10.835 1.00 0.00 N ATOM 1057 CA PRO A 83 -0.549 -2.757 10.315 1.00 0.00 C ATOM 1058 C PRO A 83 -1.060 -1.327 10.292 1.00 0.00 C ATOM 1059 O PRO A 83 -1.373 -0.744 11.333 1.00 0.00 O ATOM 1060 CB PRO A 83 -1.380 -3.593 11.306 1.00 0.00 C ATOM 1061 CG PRO A 83 -0.395 -4.226 12.228 1.00 0.00 C ATOM 1062 CD PRO A 83 0.827 -3.351 12.203 1.00 0.00 C ATOM 0 HA PRO A 83 -0.608 -3.124 9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.082 -2.965 11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.968 -4.348 10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.799 -4.301 13.237 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.155 -5.239 11.905 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.771 -2.555 12.945 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.735 -3.917 12.410 1.00 0.00 H new ATOM 1070 N LEU A 84 -1.133 -0.756 9.109 1.00 0.00 N ATOM 1071 CA LEU A 84 -1.601 0.606 8.965 1.00 0.00 C ATOM 1072 C LEU A 84 -3.124 0.646 9.039 1.00 0.00 C ATOM 1073 O LEU A 84 -3.795 -0.144 8.394 1.00 0.00 O ATOM 1074 CB LEU A 84 -1.094 1.191 7.648 1.00 0.00 C ATOM 1075 CG LEU A 84 0.345 1.707 7.687 1.00 0.00 C ATOM 1076 CD1 LEU A 84 1.314 0.610 7.278 1.00 0.00 C ATOM 1077 CD2 LEU A 84 0.502 2.924 6.789 1.00 0.00 C ATOM 0 H LEU A 84 -0.875 -1.213 8.234 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.209 1.214 9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.170 0.427 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.751 2.010 7.354 1.00 0.00 H new ATOM 0 HG LEU A 84 0.576 2.006 8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.334 0.994 7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.221 -0.232 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.083 0.280 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.533 3.276 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.252 2.654 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.166 3.716 7.129 1.00 0.00 H new ATOM 1089 N LYS A 85 -3.660 1.508 9.896 1.00 0.00 N ATOM 1090 CA LYS A 85 -5.106 1.672 10.012 1.00 0.00 C ATOM 1091 C LYS A 85 -5.482 3.146 10.128 1.00 0.00 C ATOM 1092 O LYS A 85 -4.858 3.888 10.882 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.635 0.903 11.221 1.00 0.00 C ATOM 1094 CG LYS A 85 -6.078 -0.514 10.894 1.00 0.00 C ATOM 1095 CD LYS A 85 -6.463 -1.277 12.149 1.00 0.00 C ATOM 1096 CE LYS A 85 -5.326 -2.156 12.639 1.00 0.00 C ATOM 1097 NZ LYS A 85 -5.171 -2.092 14.115 1.00 0.00 N ATOM 0 H LYS A 85 -3.116 2.104 10.520 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.562 1.270 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.859 0.865 11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.476 1.448 11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.926 -0.483 10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.273 -1.039 10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.743 -0.573 12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.339 -1.893 11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.509 -3.187 12.338 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.396 -1.845 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.385 -2.706 14.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.971 -1.112 14.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.049 -2.413 14.571 1.00 0.00 H new ATOM 1111 N TYR A 86 -6.486 3.568 9.366 1.00 0.00 N ATOM 1112 CA TYR A 86 -7.024 4.921 9.488 1.00 0.00 C ATOM 1113 C TYR A 86 -8.542 4.889 9.388 1.00 0.00 C ATOM 1114 O TYR A 86 -9.096 4.144 8.583 1.00 0.00 O ATOM 1115 CB TYR A 86 -6.438 5.850 8.416 1.00 0.00 C ATOM 1116 CG TYR A 86 -6.457 7.315 8.803 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -6.595 7.705 10.132 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -6.321 8.307 7.840 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -6.598 9.039 10.486 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -6.318 9.643 8.189 1.00 0.00 C ATOM 1121 CZ TYR A 86 -6.460 10.004 9.512 1.00 0.00 C ATOM 1122 OH TYR A 86 -6.451 11.334 9.862 1.00 0.00 O ATOM 0 H TYR A 86 -6.944 2.994 8.658 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.739 5.314 10.464 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.410 5.551 8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.998 5.721 7.490 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.701 6.952 10.898 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.216 8.029 6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.708 9.325 11.522 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.205 10.402 7.429 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.344 11.883 9.057 1.00 0.00 H new ATOM 1132 N GLU A 87 -9.201 5.681 10.223 1.00 0.00 N ATOM 1133 CA GLU A 87 -10.656 5.719 10.264 1.00 0.00 C ATOM 1134 C GLU A 87 -11.209 6.560 9.116 1.00 0.00 C ATOM 1135 O GLU A 87 -11.744 6.029 8.145 1.00 0.00 O ATOM 1136 CB GLU A 87 -11.127 6.282 11.606 1.00 0.00 C ATOM 1137 CG GLU A 87 -11.971 5.310 12.415 1.00 0.00 C ATOM 1138 CD GLU A 87 -13.270 5.929 12.886 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -13.274 7.130 13.227 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -14.296 5.221 12.913 1.00 0.00 O ATOM 0 H GLU A 87 -8.747 6.310 10.885 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.031 4.702 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.256 6.570 12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.705 7.189 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.189 4.431 11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.400 4.968 13.278 1.00 0.00 H new ATOM 1147 N ASP A 88 -11.076 7.873 9.231 1.00 0.00 N ATOM 1148 CA ASP A 88 -11.549 8.778 8.194 1.00 0.00 C ATOM 1149 C ASP A 88 -10.392 9.607 7.660 1.00 0.00 C ATOM 1150 O ASP A 88 -9.566 10.103 8.424 1.00 0.00 O ATOM 1151 CB ASP A 88 -12.658 9.686 8.731 1.00 0.00 C ATOM 1152 CG ASP A 88 -12.901 10.903 7.858 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -13.053 10.742 6.630 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -12.946 12.027 8.405 1.00 0.00 O ATOM 0 H ASP A 88 -10.645 8.335 10.031 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.963 8.186 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.582 9.113 8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.397 10.014 9.737 1.00 0.00 H new ATOM 1159 N TYR A 89 -10.340 9.744 6.348 1.00 0.00 N ATOM 1160 CA TYR A 89 -9.234 10.423 5.687 1.00 0.00 C ATOM 1161 C TYR A 89 -9.707 11.727 5.056 1.00 0.00 C ATOM 1162 O TYR A 89 -9.001 12.734 5.080 1.00 0.00 O ATOM 1163 CB TYR A 89 -8.624 9.505 4.616 1.00 0.00 C ATOM 1164 CG TYR A 89 -9.102 8.070 4.713 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -8.521 7.185 5.613 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -10.147 7.606 3.921 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -8.965 5.883 5.722 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -10.599 6.304 4.030 1.00 0.00 C ATOM 1169 CZ TYR A 89 -10.003 5.449 4.931 1.00 0.00 C ATOM 1170 OH TYR A 89 -10.451 4.157 5.046 1.00 0.00 O ATOM 0 H TYR A 89 -11.056 9.392 5.712 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.473 10.658 6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.870 9.897 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.538 9.526 4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.708 7.522 6.238 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.612 8.273 3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.500 5.208 6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.415 5.959 3.412 1.00 0.00 H new ATOM 0 HH TYR A 89 -11.189 4.010 4.419 1.00 0.00 H new ATOM 1180 N TYR A 90 -10.919 11.703 4.522 1.00 0.00 N ATOM 1181 CA TYR A 90 -11.478 12.836 3.793 1.00 0.00 C ATOM 1182 C TYR A 90 -12.989 12.659 3.683 1.00 0.00 C ATOM 1183 O TYR A 90 -13.748 13.078 4.554 1.00 0.00 O ATOM 1184 CB TYR A 90 -10.859 12.927 2.390 1.00 0.00 C ATOM 1185 CG TYR A 90 -9.788 13.988 2.244 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -10.107 15.338 2.293 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -8.457 13.633 2.048 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -9.130 16.307 2.152 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -7.474 14.596 1.907 1.00 0.00 C ATOM 1190 CZ TYR A 90 -7.815 15.931 1.961 1.00 0.00 C ATOM 1191 OH TYR A 90 -6.841 16.897 1.822 1.00 0.00 O ATOM 0 H TYR A 90 -11.544 10.899 4.581 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.252 13.757 4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.431 11.958 2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.652 13.127 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.134 15.636 2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.187 12.588 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.395 17.353 2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.445 14.304 1.755 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.969 16.467 1.696 1.00 0.00 H new ATOM 1201 N THR A 91 -13.410 12.036 2.594 1.00 0.00 N ATOM 1202 CA THR A 91 -14.793 11.631 2.401 1.00 0.00 C ATOM 1203 C THR A 91 -14.818 10.411 1.490 1.00 0.00 C ATOM 1204 O THR A 91 -15.368 9.364 1.835 1.00 0.00 O ATOM 1205 CB THR A 91 -15.644 12.758 1.783 1.00 0.00 C ATOM 1206 OG1 THR A 91 -15.309 14.014 2.389 1.00 0.00 O ATOM 1207 CG2 THR A 91 -17.128 12.480 1.963 1.00 0.00 C ATOM 0 H THR A 91 -12.798 11.796 1.814 1.00 0.00 H new ATOM 0 HA THR A 91 -15.223 11.397 3.375 1.00 0.00 H new ATOM 0 HB THR A 91 -15.428 12.801 0.715 1.00 0.00 H new ATOM 0 HG1 THR A 91 -15.853 14.725 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 91 -17.706 13.290 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 91 -17.384 11.540 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 91 -17.359 12.410 3.026 1.00 0.00 H new ATOM 1215 N SER A 92 -14.189 10.555 0.333 1.00 0.00 N ATOM 1216 CA SER A 92 -13.991 9.450 -0.583 1.00 0.00 C ATOM 1217 C SER A 92 -12.533 9.422 -1.037 1.00 0.00 C ATOM 1218 O SER A 92 -12.041 10.390 -1.620 1.00 0.00 O ATOM 1219 CB SER A 92 -14.929 9.587 -1.783 1.00 0.00 C ATOM 1220 OG SER A 92 -16.091 10.324 -1.435 1.00 0.00 O ATOM 0 H SER A 92 -13.803 11.441 0.006 1.00 0.00 H new ATOM 0 HA SER A 92 -14.221 8.512 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.409 10.085 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.214 8.598 -2.142 1.00 0.00 H new ATOM 0 HG SER A 92 -16.676 10.401 -2.217 1.00 0.00 H new ATOM 1226 N GLY A 93 -11.836 8.336 -0.727 1.00 0.00 N ATOM 1227 CA GLY A 93 -10.442 8.209 -1.102 1.00 0.00 C ATOM 1228 C GLY A 93 -10.250 8.119 -2.602 1.00 0.00 C ATOM 1229 O GLY A 93 -10.368 7.040 -3.181 1.00 0.00 O ATOM 0 H GLY A 93 -12.215 7.537 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.887 9.065 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.022 7.320 -0.631 1.00 0.00 H new ATOM 1233 N LEU A 94 -9.972 9.257 -3.230 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.754 9.316 -4.671 1.00 0.00 C ATOM 1235 C LEU A 94 -8.610 8.399 -5.089 1.00 0.00 C ATOM 1236 O LEU A 94 -8.820 7.399 -5.784 1.00 0.00 O ATOM 1237 CB LEU A 94 -9.446 10.753 -5.095 1.00 0.00 C ATOM 1238 CG LEU A 94 -10.566 11.462 -5.858 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -10.897 12.793 -5.199 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -10.171 11.666 -7.313 1.00 0.00 C ATOM 0 H LEU A 94 -9.892 10.158 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.664 8.978 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.210 11.335 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.551 10.747 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.457 10.835 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.696 13.285 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -11.221 12.620 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.011 13.428 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.979 12.172 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.268 12.274 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.983 10.698 -7.778 1.00 0.00 H new ATOM 1252 N SER A 95 -7.401 8.752 -4.679 1.00 0.00 N ATOM 1253 CA SER A 95 -6.231 7.934 -4.953 1.00 0.00 C ATOM 1254 C SER A 95 -5.212 8.075 -3.829 1.00 0.00 C ATOM 1255 O SER A 95 -4.726 9.174 -3.550 1.00 0.00 O ATOM 1256 CB SER A 95 -5.601 8.337 -6.289 1.00 0.00 C ATOM 1257 OG SER A 95 -6.573 8.354 -7.321 1.00 0.00 O ATOM 0 H SER A 95 -7.205 9.604 -4.153 1.00 0.00 H new ATOM 0 HA SER A 95 -6.544 6.892 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.144 9.322 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.804 7.639 -6.546 1.00 0.00 H new ATOM 0 HG SER A 95 -6.127 8.296 -8.192 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.911 6.966 -3.179 1.00 0.00 N ATOM 1264 CA TRP A 96 -3.903 6.940 -2.135 1.00 0.00 C ATOM 1265 C TRP A 96 -2.789 5.994 -2.539 1.00 0.00 C ATOM 1266 O TRP A 96 -3.047 4.917 -3.075 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.507 6.491 -0.801 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.456 7.480 -0.193 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.799 7.582 -0.428 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -5.137 8.502 0.761 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.332 8.605 0.320 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.332 9.184 1.057 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -3.955 8.908 1.392 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -6.380 10.245 1.959 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -4.007 9.962 2.287 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -5.211 10.619 2.562 1.00 0.00 C ATOM 0 H TRP A 96 -5.354 6.065 -3.358 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.506 7.947 -2.006 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -5.031 5.547 -0.951 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.699 6.298 -0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.359 6.951 -1.102 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -8.312 8.887 0.326 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.020 8.408 1.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -7.308 10.754 2.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -3.102 10.283 2.782 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -5.217 11.439 3.265 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.561 6.392 -2.289 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.419 5.615 -2.724 1.00 0.00 C ATOM 1289 C ILE A 97 0.408 5.128 -1.542 1.00 0.00 C ATOM 1290 O ILE A 97 0.604 5.850 -0.558 1.00 0.00 O ATOM 1291 CB ILE A 97 0.472 6.436 -3.682 1.00 0.00 C ATOM 1292 CG1 ILE A 97 1.510 5.530 -4.362 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.133 7.595 -2.947 1.00 0.00 C ATOM 1294 CD1 ILE A 97 2.952 5.894 -4.069 1.00 0.00 C ATOM 0 H ILE A 97 -1.327 7.248 -1.787 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.805 4.745 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.158 6.862 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.337 4.501 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.352 5.564 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.755 8.159 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.365 8.250 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.752 7.207 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.615 5.203 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.147 6.910 -4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.132 5.831 -2.996 1.00 0.00 H new ATOM 1306 N TRP A 98 0.858 3.890 -1.637 1.00 0.00 N ATOM 1307 CA TRP A 98 1.810 3.340 -0.694 1.00 0.00 C ATOM 1308 C TRP A 98 3.219 3.589 -1.208 1.00 0.00 C ATOM 1309 O TRP A 98 3.761 2.784 -1.968 1.00 0.00 O ATOM 1310 CB TRP A 98 1.585 1.834 -0.521 1.00 0.00 C ATOM 1311 CG TRP A 98 0.310 1.483 0.185 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -0.611 0.556 -0.210 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -0.180 2.041 1.409 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -1.638 0.495 0.699 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -1.397 1.398 1.702 1.00 0.00 C ATOM 1316 CE3 TRP A 98 0.290 3.019 2.289 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -2.141 1.701 2.840 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -0.450 3.313 3.411 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -1.651 2.656 3.675 1.00 0.00 C ATOM 0 H TRP A 98 0.573 3.240 -2.369 1.00 0.00 H new ATOM 0 HA TRP A 98 1.675 3.825 0.273 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.585 1.362 -1.504 1.00 0.00 H new ATOM 0 HB3 TRP A 98 2.423 1.414 0.035 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.542 -0.042 -1.107 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.448 -0.122 0.638 1.00 0.00 H new ATOM 0 HE3 TRP A 98 1.218 3.535 2.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.072 1.196 3.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.094 4.066 4.099 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.206 2.912 4.565 1.00 0.00 H new ATOM 1330 N LYS A 99 3.798 4.718 -0.833 1.00 0.00 N ATOM 1331 CA LYS A 99 5.134 5.061 -1.287 1.00 0.00 C ATOM 1332 C LYS A 99 6.174 4.286 -0.496 1.00 0.00 C ATOM 1333 O LYS A 99 6.565 4.687 0.602 1.00 0.00 O ATOM 1334 CB LYS A 99 5.384 6.564 -1.163 1.00 0.00 C ATOM 1335 CG LYS A 99 6.226 7.132 -2.294 1.00 0.00 C ATOM 1336 CD LYS A 99 7.302 8.074 -1.777 1.00 0.00 C ATOM 1337 CE LYS A 99 7.645 9.137 -2.805 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.999 9.706 -2.589 1.00 0.00 N ATOM 0 H LYS A 99 3.366 5.408 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 99 5.217 4.788 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.426 7.083 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.881 6.765 -0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.692 6.316 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.583 7.664 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.960 8.551 -0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.197 7.505 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.589 8.706 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.905 9.936 -2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.999 10.712 -2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.259 9.612 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.688 9.194 -3.175 1.00 0.00 H new ATOM 1352 N ILE A 100 6.603 3.167 -1.055 1.00 0.00 N ATOM 1353 CA ILE A 100 7.596 2.328 -0.412 1.00 0.00 C ATOM 1354 C ILE A 100 8.986 2.736 -0.856 1.00 0.00 C ATOM 1355 O ILE A 100 9.406 2.428 -1.972 1.00 0.00 O ATOM 1356 CB ILE A 100 7.374 0.831 -0.723 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.899 0.458 -0.535 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.261 -0.033 0.165 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.547 -0.911 -1.079 1.00 0.00 C ATOM 0 H ILE A 100 6.277 2.819 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 100 7.494 2.467 0.664 1.00 0.00 H new ATOM 0 HB ILE A 100 7.645 0.649 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.657 0.491 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.278 1.206 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.093 -1.085 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.307 0.215 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.018 0.152 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.488 -1.108 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.757 -0.943 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.142 -1.669 -0.570 1.00 0.00 H new ATOM 1371 N LYS A 101 9.681 3.458 0.008 1.00 0.00 N ATOM 1372 CA LYS A 101 11.051 3.842 -0.265 1.00 0.00 C ATOM 1373 C LYS A 101 11.998 2.920 0.487 1.00 0.00 C ATOM 1374 O LYS A 101 11.996 2.864 1.720 1.00 0.00 O ATOM 1375 CB LYS A 101 11.303 5.308 0.103 1.00 0.00 C ATOM 1376 CG LYS A 101 10.803 5.713 1.482 1.00 0.00 C ATOM 1377 CD LYS A 101 11.229 7.129 1.836 1.00 0.00 C ATOM 1378 CE LYS A 101 12.724 7.331 1.640 1.00 0.00 C ATOM 1379 NZ LYS A 101 13.012 8.416 0.667 1.00 0.00 N ATOM 0 H LYS A 101 9.317 3.788 0.902 1.00 0.00 H new ATOM 0 HA LYS A 101 11.235 3.743 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.374 5.503 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.825 5.943 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.716 5.641 1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.189 5.019 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.681 7.840 1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.966 7.340 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.187 7.569 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.174 6.401 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.996 8.732 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.872 8.061 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.370 9.216 0.839 1.00 0.00 H new ATOM 1393 N ASN A 102 12.783 2.177 -0.265 1.00 0.00 N ATOM 1394 CA ASN A 102 13.669 1.185 0.311 1.00 0.00 C ATOM 1395 C ASN A 102 15.067 1.758 0.494 1.00 0.00 C ATOM 1396 O ASN A 102 15.685 2.233 -0.460 1.00 0.00 O ATOM 1397 CB ASN A 102 13.692 -0.053 -0.586 1.00 0.00 C ATOM 1398 CG ASN A 102 14.718 -1.082 -0.152 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.987 -1.253 1.038 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.301 -1.773 -1.118 1.00 0.00 N ATOM 0 H ASN A 102 12.826 2.241 -1.282 1.00 0.00 H new ATOM 0 HA ASN A 102 13.301 0.898 1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.703 -0.512 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.903 0.252 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.002 -2.478 -0.889 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.050 -1.601 -2.091 1.00 0.00 H new ATOM 1407 N ASN A 103 15.553 1.724 1.730 1.00 0.00 N ATOM 1408 CA ASN A 103 16.849 2.305 2.066 1.00 0.00 C ATOM 1409 C ASN A 103 17.980 1.354 1.717 1.00 0.00 C ATOM 1410 O ASN A 103 19.133 1.769 1.596 1.00 0.00 O ATOM 1411 CB ASN A 103 16.913 2.649 3.554 1.00 0.00 C ATOM 1412 CG ASN A 103 16.128 3.900 3.898 1.00 0.00 C ATOM 1413 OD1 ASN A 103 16.136 4.878 3.150 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.446 3.883 5.031 1.00 0.00 N ATOM 0 H ASN A 103 15.067 1.298 2.519 1.00 0.00 H new ATOM 0 HA ASN A 103 16.964 3.217 1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.526 1.811 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.954 2.786 3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.902 4.699 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.464 3.054 5.625 1.00 0.00 H new ATOM 1421 N SER A 104 17.648 0.082 1.566 1.00 0.00 N ATOM 1422 CA SER A 104 18.640 -0.930 1.243 1.00 0.00 C ATOM 1423 C SER A 104 19.060 -0.831 -0.220 1.00 0.00 C ATOM 1424 O SER A 104 18.222 -0.685 -1.107 1.00 0.00 O ATOM 1425 CB SER A 104 18.078 -2.318 1.549 1.00 0.00 C ATOM 1426 OG SER A 104 17.242 -2.276 2.693 1.00 0.00 O ATOM 0 H SER A 104 16.697 -0.274 1.662 1.00 0.00 H new ATOM 0 HA SER A 104 19.525 -0.762 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.513 -2.685 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.896 -3.019 1.715 1.00 0.00 H new ATOM 0 HG SER A 104 16.327 -2.056 2.421 1.00 0.00 H new ATOM 1432 N SER A 105 20.361 -0.899 -0.463 1.00 0.00 N ATOM 1433 CA SER A 105 20.897 -0.800 -1.814 1.00 0.00 C ATOM 1434 C SER A 105 20.714 -2.107 -2.586 1.00 0.00 C ATOM 1435 O SER A 105 20.912 -2.156 -3.800 1.00 0.00 O ATOM 1436 CB SER A 105 22.374 -0.429 -1.740 1.00 0.00 C ATOM 1437 OG SER A 105 22.755 -0.177 -0.396 1.00 0.00 O ATOM 0 H SER A 105 21.068 -1.023 0.261 1.00 0.00 H new ATOM 0 HA SER A 105 20.349 -0.026 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.979 -1.237 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.565 0.454 -2.350 1.00 0.00 H new ATOM 0 HG SER A 105 22.984 -1.023 0.043 1.00 0.00 H new ATOM 1443 N GLU A 106 20.328 -3.158 -1.875 1.00 0.00 N ATOM 1444 CA GLU A 106 20.103 -4.462 -2.484 1.00 0.00 C ATOM 1445 C GLU A 106 18.611 -4.695 -2.704 1.00 0.00 C ATOM 1446 O GLU A 106 17.776 -3.988 -2.135 1.00 0.00 O ATOM 1447 CB GLU A 106 20.678 -5.565 -1.591 1.00 0.00 C ATOM 1448 CG GLU A 106 21.844 -6.313 -2.217 1.00 0.00 C ATOM 1449 CD GLU A 106 21.405 -7.280 -3.295 1.00 0.00 C ATOM 1450 OE1 GLU A 106 20.322 -7.883 -3.154 1.00 0.00 O ATOM 1451 OE2 GLU A 106 22.143 -7.438 -4.295 1.00 0.00 O ATOM 0 H GLU A 106 20.163 -3.132 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 106 20.608 -4.487 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.004 -5.124 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.887 -6.276 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.545 -5.595 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.379 -6.859 -1.440 1.00 0.00 H new ATOM 1458 N THR A 107 18.281 -5.681 -3.524 1.00 0.00 N ATOM 1459 CA THR A 107 16.893 -6.004 -3.799 1.00 0.00 C ATOM 1460 C THR A 107 16.229 -6.579 -2.551 1.00 0.00 C ATOM 1461 O THR A 107 16.678 -7.590 -2.007 1.00 0.00 O ATOM 1462 CB THR A 107 16.785 -7.011 -4.956 1.00 0.00 C ATOM 1463 OG1 THR A 107 18.063 -7.148 -5.596 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.747 -6.564 -5.973 1.00 0.00 C ATOM 0 H THR A 107 18.957 -6.270 -4.010 1.00 0.00 H new ATOM 0 HA THR A 107 16.381 -5.086 -4.088 1.00 0.00 H new ATOM 0 HB THR A 107 16.472 -7.972 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.993 -7.791 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.691 -7.294 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.774 -6.483 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 107 16.031 -5.594 -6.380 1.00 0.00 H new ATOM 1472 N SER A 108 15.176 -5.924 -2.092 1.00 0.00 N ATOM 1473 CA SER A 108 14.520 -6.315 -0.856 1.00 0.00 C ATOM 1474 C SER A 108 13.074 -6.732 -1.111 1.00 0.00 C ATOM 1475 O SER A 108 12.329 -6.044 -1.808 1.00 0.00 O ATOM 1476 CB SER A 108 14.580 -5.156 0.139 1.00 0.00 C ATOM 1477 OG SER A 108 15.762 -4.395 -0.048 1.00 0.00 O ATOM 0 H SER A 108 14.757 -5.119 -2.557 1.00 0.00 H new ATOM 0 HA SER A 108 15.041 -7.176 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.706 -4.517 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.548 -5.543 1.158 1.00 0.00 H new ATOM 0 HG SER A 108 16.365 -4.534 0.712 1.00 0.00 H new ATOM 1483 N ASN A 109 12.682 -7.871 -0.562 1.00 0.00 N ATOM 1484 CA ASN A 109 11.323 -8.367 -0.732 1.00 0.00 C ATOM 1485 C ASN A 109 10.411 -7.820 0.355 1.00 0.00 C ATOM 1486 O ASN A 109 10.799 -7.740 1.524 1.00 0.00 O ATOM 1487 CB ASN A 109 11.298 -9.898 -0.713 1.00 0.00 C ATOM 1488 CG ASN A 109 10.202 -10.476 -1.593 1.00 0.00 C ATOM 1489 OD1 ASN A 109 10.267 -10.399 -2.822 1.00 0.00 O ATOM 1490 ND2 ASN A 109 9.191 -11.062 -0.971 1.00 0.00 N ATOM 0 H ASN A 109 13.283 -8.469 0.004 1.00 0.00 H new ATOM 0 HA ASN A 109 10.959 -8.023 -1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 109 12.264 -10.278 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.156 -10.243 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.428 -11.471 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.175 -11.105 0.048 1.00 0.00 H new ATOM 1497 N TYR A 110 9.209 -7.428 -0.036 1.00 0.00 N ATOM 1498 CA TYR A 110 8.225 -6.933 0.908 1.00 0.00 C ATOM 1499 C TYR A 110 6.957 -7.764 0.824 1.00 0.00 C ATOM 1500 O TYR A 110 6.685 -8.400 -0.191 1.00 0.00 O ATOM 1501 CB TYR A 110 7.915 -5.444 0.662 1.00 0.00 C ATOM 1502 CG TYR A 110 7.022 -5.159 -0.532 1.00 0.00 C ATOM 1503 CD1 TYR A 110 7.552 -5.034 -1.811 1.00 0.00 C ATOM 1504 CD2 TYR A 110 5.651 -5.002 -0.376 1.00 0.00 C ATOM 1505 CE1 TYR A 110 6.739 -4.763 -2.899 1.00 0.00 C ATOM 1506 CE2 TYR A 110 4.833 -4.733 -1.456 1.00 0.00 C ATOM 1507 CZ TYR A 110 5.379 -4.615 -2.716 1.00 0.00 C ATOM 1508 OH TYR A 110 4.562 -4.349 -3.792 1.00 0.00 O ATOM 0 H TYR A 110 8.892 -7.444 -1.005 1.00 0.00 H new ATOM 0 HA TYR A 110 8.640 -7.023 1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.442 -5.035 1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.856 -4.911 0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.616 -5.150 -1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.216 -5.092 0.608 1.00 0.00 H new ATOM 0 HE1 TYR A 110 7.167 -4.668 -3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.769 -4.616 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 110 3.633 -4.276 -3.487 1.00 0.00 H new ATOM 1518 N SER A 111 6.201 -7.781 1.901 1.00 0.00 N ATOM 1519 CA SER A 111 4.922 -8.463 1.924 1.00 0.00 C ATOM 1520 C SER A 111 3.861 -7.534 2.488 1.00 0.00 C ATOM 1521 O SER A 111 3.820 -7.288 3.690 1.00 0.00 O ATOM 1522 CB SER A 111 5.018 -9.740 2.758 1.00 0.00 C ATOM 1523 OG SER A 111 6.298 -10.331 2.613 1.00 0.00 O ATOM 0 H SER A 111 6.452 -7.327 2.779 1.00 0.00 H new ATOM 0 HA SER A 111 4.644 -8.741 0.907 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.833 -9.511 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.248 -10.445 2.445 1.00 0.00 H new ATOM 0 HG SER A 111 6.295 -11.222 3.021 1.00 0.00 H new ATOM 1529 N LEU A 112 3.047 -6.983 1.608 1.00 0.00 N ATOM 1530 CA LEU A 112 1.991 -6.066 2.021 1.00 0.00 C ATOM 1531 C LEU A 112 0.630 -6.753 2.030 1.00 0.00 C ATOM 1532 O LEU A 112 0.131 -7.157 0.984 1.00 0.00 O ATOM 1533 CB LEU A 112 1.954 -4.856 1.087 1.00 0.00 C ATOM 1534 CG LEU A 112 0.921 -3.787 1.447 1.00 0.00 C ATOM 1535 CD1 LEU A 112 1.512 -2.776 2.412 1.00 0.00 C ATOM 1536 CD2 LEU A 112 0.413 -3.093 0.193 1.00 0.00 C ATOM 0 H LEU A 112 3.093 -7.151 0.603 1.00 0.00 H new ATOM 0 HA LEU A 112 2.211 -5.737 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.942 -4.395 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.754 -5.205 0.074 1.00 0.00 H new ATOM 0 HG LEU A 112 0.078 -4.276 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.762 -2.024 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.826 -3.284 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.373 -2.293 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.321 -2.336 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.247 -2.619 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.052 -3.826 -0.466 1.00 0.00 H new ATOM 1548 N ASP A 113 0.031 -6.884 3.208 1.00 0.00 N ATOM 1549 CA ASP A 113 -1.309 -7.461 3.313 1.00 0.00 C ATOM 1550 C ASP A 113 -2.338 -6.354 3.461 1.00 0.00 C ATOM 1551 O ASP A 113 -2.448 -5.730 4.518 1.00 0.00 O ATOM 1552 CB ASP A 113 -1.453 -8.443 4.494 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.154 -8.789 5.196 1.00 0.00 C ATOM 1554 OD1 ASP A 113 0.662 -9.549 4.624 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.041 -8.337 6.344 1.00 0.00 O ATOM 0 H ASP A 113 0.445 -6.603 4.097 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.477 -8.025 2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.140 -8.014 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.909 -9.363 4.129 1.00 0.00 H new ATOM 1560 N ALA A 114 -3.086 -6.106 2.397 1.00 0.00 N ATOM 1561 CA ALA A 114 -4.109 -5.072 2.410 1.00 0.00 C ATOM 1562 C ALA A 114 -5.442 -5.638 1.949 1.00 0.00 C ATOM 1563 O ALA A 114 -5.482 -6.515 1.088 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.695 -3.911 1.519 1.00 0.00 C ATOM 0 H ALA A 114 -3.004 -6.607 1.513 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.221 -4.708 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.469 -3.144 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.758 -3.489 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.561 -4.266 0.497 1.00 0.00 H new ATOM 1570 N THR A 115 -6.533 -5.137 2.510 1.00 0.00 N ATOM 1571 CA THR A 115 -7.850 -5.593 2.105 1.00 0.00 C ATOM 1572 C THR A 115 -8.362 -4.749 0.947 1.00 0.00 C ATOM 1573 O THR A 115 -9.071 -3.755 1.135 1.00 0.00 O ATOM 1574 CB THR A 115 -8.857 -5.531 3.266 1.00 0.00 C ATOM 1575 OG1 THR A 115 -8.158 -5.405 4.511 1.00 0.00 O ATOM 1576 CG2 THR A 115 -9.729 -6.777 3.290 1.00 0.00 C ATOM 0 H THR A 115 -6.531 -4.423 3.238 1.00 0.00 H new ATOM 0 HA THR A 115 -7.754 -6.633 1.793 1.00 0.00 H new ATOM 0 HB THR A 115 -9.498 -4.662 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.804 -5.364 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 115 -10.434 -6.712 4.119 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.278 -6.855 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.101 -7.659 3.416 1.00 0.00 H new